orbital_charges     :real:2:4,8
  0.150556244715404E+001  0.832809807328853E+000  0.836915761728624E+000
  0.827678412510229E+000  0.148903729670852E+001  0.829653125863718E+000
  0.834025113547499E+000  0.827927829670026E+000  0.146422957718695E+001
  0.825383139751598E+000  0.831131467817849E+000  0.830688196283116E+000
  0.148306267226181E+001  0.828030871472582E+000  0.833602477978799E+000
  0.829512723653104E+000  0.150162411826363E+001  0.833603061231757E+000
  0.827953749004701E+000  0.836645793685665E+000  0.151357025000064E+001
  0.836397189149590E+000  0.831076691468748E+000  0.835655329750165E+000
  0.153692990421558E+001  0.838306763517995E+000  0.835539518833721E+000
  0.835681401954811E+000  0.152191341386938E+001  0.836145757285578E+000
  0.832443637154539E+000  0.837262499696189E+000
forces              :real:2:3,8
 -0.629563979427077E-003 -0.145684672711711E-002 -0.211940368226191E-001
 -0.134149944404852E-001 -0.692206369816288E-002  0.295931437587678E-001
 -0.285813297371208E-002  0.147576084820599E-001 -0.110574194745236E-001
  0.127899485597273E-001 -0.542766460722570E-002  0.455370387835755E-002
  0.208381608938565E-002  0.194583010188905E-001  0.663615322430797E-002
  0.114772964666586E-001 -0.156364016684161E-001 -0.138227897048839E-001
  0.911720040882218E-002  0.603857194211129E-002  0.771498346959280E-002
 -0.185655701309695E-001 -0.108115047421399E-001 -0.242373832899963E-002
mermin_energy       :real:0:
 -0.103637653604346E+002
end_coords          :real:2:3,8
 -0.350366328508728E-001  0.490995264700042E-002  0.148063484240791E+000
  0.267827661071814E+001  0.261225425648037E+001  0.236946782670093E+001
  0.519032883293039E+001  0.512019261615256E+001  0.890049653119544E-002
  0.761958034158858E+001  0.769826831965873E+001  0.260025474789501E+001
  0.507760615136577E+001 -0.713713838902221E-001  0.509589148362855E+001
  0.763975289741481E+001  0.259741590044595E+001  0.774139514853783E+001
 -0.516070416368690E-002  0.505351284291301E+001  0.506725945326084E+001
  0.260180288742318E+001  0.775196788001891E+001  0.773591774363116E+001
